==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-10 3PXF . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,E.SCHONBRUNN . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 0 1 0 0 1 0 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -3 A S 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.8 118.4 142.9 82.2 2 -2 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 72,-0.1 -0.215 360.0-131.4 -59.0 146.2 119.3 139.7 80.3 3 -1 A E - 0 0 48 70,-0.1 2,-0.3 3,-0.0 70,-0.0 -0.728 20.5-160.5 -95.0 148.3 116.7 137.1 80.0 4 0 A F > - 0 0 110 -2,-0.3 3,-2.2 70,-0.1 4,-0.3 -0.945 30.0-118.4-127.8 149.3 117.6 133.5 80.8 5 1 A M G > S+ 0 0 37 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.778 114.2 66.2 -57.9 -26.1 115.8 130.3 79.8 6 2 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.754 90.2 66.9 -65.0 -24.5 115.2 129.6 83.5 7 3 A N G < S+ 0 0 31 -3,-2.2 21,-3.4 20,-0.1 2,-0.4 0.593 93.0 76.0 -71.0 -13.2 112.9 132.7 83.4 8 4 A F E < -A 27 0A 17 -3,-1.6 2,-0.5 -4,-0.3 19,-0.2 -0.867 63.4-155.5-112.3 138.6 110.5 130.9 81.1 9 5 A Q E -A 26 0A 92 17,-2.6 17,-2.7 -2,-0.4 2,-0.2 -0.925 24.3-128.8-107.2 122.2 108.0 128.2 81.9 10 6 A K E +A 25 0A 149 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.504 28.4 176.9 -69.4 136.7 107.0 126.0 78.9 11 7 A V E - 0 0 57 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.809 56.0 -35.7-103.6 -60.5 103.3 125.8 78.5 12 8 A E E -A 24 0A 102 12,-1.1 12,-3.5 0, 0.0 -1,-0.4 -0.980 59.2 -92.6-160.8 162.4 102.7 123.8 75.4 13 9 A K E -A 23 0A 90 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.693 34.2-177.0 -80.0 131.3 104.1 123.0 71.9 14 10 A I E - 0 0 29 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.280 58.2 -46.9-114.9 10.4 102.4 125.3 69.4 15 11 A G E -A 22 0A 18 7,-0.8 7,-2.6 2,-0.0 -1,-0.3 -0.957 46.2-110.6 154.0-170.2 104.0 123.9 66.2 16 12 A E - 0 0 75 5,-0.3 149,-0.3 -2,-0.3 4,-0.3 -0.350 34.6-176.8-159.7 69.4 107.2 122.9 64.6 17 13 A G > - 0 0 13 2,-0.2 3,-1.0 1,-0.1 147,-0.6 0.416 57.3 -63.8 -52.1-162.3 108.5 125.2 61.9 18 14 A T T 3 S+ 0 0 7 1,-0.3 145,-1.1 145,-0.2 -1,-0.1 0.510 133.9 58.2 -70.4 -0.8 111.6 124.6 59.8 19 15 A Y T 3 S- 0 0 39 1,-0.4 -1,-0.3 143,-0.2 2,-0.2 -0.161 117.0 -95.0-121.6 40.0 113.6 125.0 63.0 20 16 A G S < S- 0 0 19 -3,-1.0 -1,-0.4 -4,-0.3 2,-0.2 -0.571 79.7 -5.6 88.7-150.2 112.2 122.2 65.1 21 17 A V - 0 0 33 -5,-0.2 17,-0.9 -2,-0.2 2,-0.5 -0.477 55.6-148.3 -83.9 150.9 109.4 122.7 67.7 22 18 A V E -AB 15 37A 22 -7,-2.6 -8,-3.0 -2,-0.2 -7,-0.8 -0.986 18.3-157.0-118.1 129.1 108.0 126.1 68.7 23 19 A Y E -AB 13 36A 95 13,-2.6 13,-3.0 -2,-0.5 2,-0.5 -0.865 17.3-134.4-113.8 140.9 106.8 126.4 72.3 24 20 A K E +AB 12 35A 41 -12,-3.5 -13,-3.2 -2,-0.4 -12,-1.1 -0.760 40.5 177.3 -82.0 134.1 104.3 128.6 74.0 25 21 A A E -AB 10 34A 0 9,-2.5 9,-2.6 -2,-0.5 2,-0.5 -0.942 27.1-132.5-138.5 161.2 106.0 129.8 77.1 26 22 A R E -AB 9 33A 115 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.7 -0.966 19.6-129.9-118.8 128.5 105.3 132.1 80.0 27 23 A N E > -A 8 0A 6 5,-3.6 4,-2.9 -2,-0.5 3,-0.4 -0.677 16.5-153.7 -75.0 114.4 107.9 134.7 81.3 28 24 A K T 4 S+ 0 0 129 -21,-3.4 -1,-0.2 -2,-0.7 -20,-0.1 0.713 89.9 49.9 -62.4 -23.5 107.9 134.1 85.0 29 25 A L T 4 S+ 0 0 133 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.750 128.3 17.0 -88.5 -29.3 109.0 137.6 85.8 30 26 A T T 4 S- 0 0 98 -3,-0.4 -2,-0.2 2,-0.2 3,-0.1 0.589 92.5-128.0-116.2 -22.1 106.4 139.6 83.7 31 27 A G < + 0 0 42 -4,-2.9 -3,-0.1 1,-0.3 2,-0.1 0.394 58.4 146.7 86.6 -4.0 103.8 136.9 83.2 32 28 A E - 0 0 103 -5,-0.2 -5,-3.6 -6,-0.1 2,-0.4 -0.396 44.6-136.0 -67.4 138.4 103.9 137.6 79.4 33 29 A V E +B 26 0A 34 -7,-0.2 53,-0.6 -3,-0.1 2,-0.3 -0.800 31.0 172.6 -96.3 142.3 103.4 134.6 77.2 34 30 A V E -BC 25 85A 2 -9,-2.6 -9,-2.5 -2,-0.4 2,-0.5 -0.816 35.1-111.8-137.7 174.7 105.7 134.3 74.2 35 31 A A E -BC 24 84A 11 49,-2.5 49,-3.2 -2,-0.3 2,-0.5 -0.979 33.0-158.2-114.0 125.5 106.5 131.9 71.4 36 32 A L E -BC 23 83A 17 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.5 -0.924 7.1-165.6-111.6 132.9 110.0 130.4 71.8 37 33 A K E -BC 22 82A 20 45,-2.1 45,-3.0 -2,-0.5 2,-0.5 -0.960 12.7-145.6-116.6 125.5 112.0 128.8 68.9 38 34 A K E - C 0 81A 74 -17,-0.9 2,-0.5 -2,-0.5 43,-0.2 -0.795 13.3-168.4 -95.7 127.2 115.0 126.7 69.8 39 35 A I E - C 0 80A 24 41,-3.4 41,-2.5 -2,-0.5 2,-0.7 -0.955 10.9-151.9-119.8 119.5 117.9 126.8 67.4 40 36 A R E - C 0 79A 148 -2,-0.5 121,-0.5 39,-0.2 39,-0.2 -0.802 22.0-147.4 -90.4 117.5 120.8 124.3 67.6 41 37 A L - 0 0 68 37,-1.8 2,-0.3 -2,-0.7 119,-0.1 -0.090 0.6-137.2 -75.9 178.6 124.0 125.9 66.3 42 38 A D > + 0 0 56 117,-0.3 3,-0.5 118,-0.1 4,-0.3 -0.770 27.3 170.5-147.2 98.0 126.9 124.3 64.4 43 39 A T T 3 + 0 0 105 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.003 50.7 122.4 -90.2 27.8 130.5 125.0 65.1 44 40 A E T 3 S+ 0 0 134 115,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.914 85.3 14.7 -54.0 -51.4 131.0 122.0 62.8 45 41 A T S < S- 0 0 97 -3,-0.5 -2,-0.1 2,-0.2 3,-0.1 0.903 123.2 -78.4 -88.5 -77.8 133.1 124.0 60.4 46 42 A E S S- 0 0 166 1,-0.4 2,-0.3 -4,-0.3 -3,-0.1 0.276 87.5 -42.2-163.3 -26.6 134.2 127.2 62.1 47 43 A G S S- 0 0 37 -5,-0.1 -1,-0.4 0, 0.0 -2,-0.2 -0.977 74.6 -46.7 176.7-165.6 131.2 129.5 62.0 48 44 A V - 0 0 53 -2,-0.3 110,-0.1 110,-0.1 5,-0.1 -0.739 66.4 -95.0 -93.2 139.8 128.2 130.9 60.0 49 45 A P >> - 0 0 48 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.295 30.3-127.1 -56.2 131.5 128.9 132.2 56.5 50 46 A S H 3> S+ 0 0 107 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.863 112.2 52.1 -47.6 -43.7 129.5 135.9 56.5 51 47 A T H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.876 109.5 51.4 -62.7 -34.7 126.9 136.5 53.9 52 48 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 104,-0.2 5,-0.3 0.909 106.8 52.2 -66.2 -44.9 124.5 134.5 56.1 53 49 A I H X S+ 0 0 80 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.874 109.8 50.5 -59.6 -36.1 125.3 136.7 59.1 54 50 A R H X S+ 0 0 160 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.903 109.8 49.1 -69.4 -41.1 124.5 139.7 57.0 55 51 A E H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.850 110.5 49.9 -68.0 -35.2 121.2 138.3 55.9 56 52 A I H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.900 110.9 51.4 -68.1 -38.8 120.2 137.4 59.5 57 53 A S H X S+ 0 0 53 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.913 107.9 51.9 -63.1 -41.7 121.2 141.0 60.4 58 54 A L H X S+ 0 0 11 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.916 110.5 47.5 -60.8 -45.0 119.0 142.3 57.7 59 55 A L H >< S+ 0 0 41 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.931 108.5 54.7 -63.0 -44.6 116.0 140.3 58.9 60 56 A K H 3< S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 100.7 61.4 -58.2 -29.6 116.6 141.4 62.5 61 57 A E H 3< S+ 0 0 121 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.736 82.3 102.0 -69.9 -25.4 116.5 145.1 61.4 62 58 A L << + 0 0 13 -3,-1.3 2,-0.4 -4,-0.7 60,-0.0 -0.447 43.5 176.5 -71.4 128.7 112.9 144.8 60.1 63 59 A N + 0 0 132 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.965 22.6 139.3-129.7 112.0 110.1 146.2 62.3 64 60 A H > - 0 0 42 -2,-0.4 3,-1.7 3,-0.4 54,-0.0 -0.993 59.9-120.2-155.6 147.1 106.7 146.0 60.7 65 61 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.753 114.0 50.9 -60.9 -22.5 103.1 145.2 61.7 66 62 A N T 3 S+ 0 0 5 80,-0.1 81,-2.7 2,-0.1 2,-0.4 0.025 96.2 76.1-105.4 26.4 103.1 142.3 59.2 67 63 A I B < S-e 147 0B 11 -3,-1.7 -3,-0.4 79,-0.3 81,-0.2 -0.998 93.8-104.7-133.0 126.5 106.3 140.6 60.2 68 64 A V - 0 0 17 79,-2.6 2,-0.5 -2,-0.4 -2,-0.1 -0.240 42.8-113.5 -53.0 135.2 106.3 138.5 63.4 69 65 A K - 0 0 128 -4,-0.1 16,-2.0 -6,-0.1 2,-0.6 -0.620 19.4-152.3 -82.2 123.1 108.1 140.4 66.2 70 66 A L E +D 84 0A 59 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.844 15.5 179.5 -90.6 121.1 111.3 139.1 67.5 71 67 A L E - 0 0 66 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.798 58.9 -16.7 -92.8 -33.8 111.6 140.3 71.1 72 68 A D E -D 83 0A 53 11,-1.4 11,-3.2 2,-0.0 2,-0.4 -0.974 48.5-137.5-167.1 163.0 115.0 138.8 72.2 73 69 A V E -D 82 0A 36 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 20.5-158.9-135.1 118.3 117.6 136.2 71.4 74 70 A I E -D 81 0A 10 7,-2.7 7,-2.7 -2,-0.4 2,-0.5 -0.894 5.0-154.4-104.7 127.2 119.0 134.2 74.3 75 71 A H E +D 80 0A 132 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.872 24.1 154.3-104.9 132.5 122.4 132.5 73.9 76 72 A T E > -D 79 0A 63 3,-2.6 3,-1.7 -2,-0.5 -2,-0.0 -0.908 60.2 -30.0-160.9 128.1 123.3 129.4 75.9 77 73 A E T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.802 123.4 -36.5 28.6 79.1 125.7 126.5 75.3 78 74 A N T 3 S+ 0 0 115 1,-0.2 -37,-1.8 -38,-0.1 2,-0.3 0.679 123.0 103.2 58.7 16.4 125.8 126.1 71.6 79 75 A K E < -CD 40 76A 64 -3,-1.7 -3,-2.6 -39,-0.2 2,-0.4 -0.947 54.4-157.8-132.1 152.6 122.1 127.0 71.5 80 76 A L E -CD 39 75A 31 -41,-2.5 -41,-3.4 -2,-0.3 2,-0.6 -0.997 4.0-161.4-128.2 132.3 120.0 130.0 70.6 81 77 A Y E -CD 38 74A 43 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.6 -0.963 9.9-153.1-114.5 117.6 116.5 130.6 71.8 82 78 A L E -CD 37 73A 29 -45,-3.0 -45,-2.1 -2,-0.6 2,-0.7 -0.809 7.3-151.8 -90.9 124.6 114.5 133.2 69.8 83 79 A V E +CD 36 72A 2 -11,-3.2 -12,-3.0 -2,-0.6 -11,-1.4 -0.867 22.9 175.3-100.5 115.3 111.8 134.9 71.9 84 80 A F E -CD 35 70A 27 -49,-3.2 -49,-2.5 -2,-0.7 -14,-0.2 -0.772 39.8 -89.5-115.3 163.5 108.9 136.0 69.7 85 81 A E E -C 34 0A 34 -16,-2.0 2,-0.4 -2,-0.3 -51,-0.2 -0.342 56.3-103.9 -62.9 151.5 105.5 137.6 70.4 86 82 A F + 0 0 42 -53,-0.6 -1,-0.1 1,-0.1 -53,-0.1 -0.674 59.3 141.8 -85.4 132.2 102.9 134.9 71.0 87 83 A L + 0 0 12 -2,-0.4 2,-2.3 53,-0.1 -1,-0.1 0.637 17.1 177.4-135.2 -36.6 100.5 134.1 68.2 88 84 A H + 0 0 66 50,-0.1 2,-0.4 52,-0.0 52,-0.1 0.030 53.4 90.9 46.4 -21.1 99.7 130.3 67.8 89 85 A Q E -F 139 0B 27 -2,-2.3 50,-2.5 50,-0.7 2,-0.3 -0.808 54.2-176.4-100.2 141.1 97.1 130.5 65.0 90 86 A D E > -F 138 0B 11 -2,-0.4 4,-2.7 48,-0.3 48,-0.2 -0.889 39.5-106.8-133.6 166.5 98.2 130.3 61.3 91 87 A L H > S+ 0 0 0 46,-2.5 4,-2.9 43,-0.7 5,-0.2 0.863 116.8 53.8 -60.0 -37.4 96.7 130.5 57.9 92 88 A K H > S+ 0 0 75 42,-1.0 4,-2.6 2,-0.2 5,-0.2 0.974 112.3 43.1 -62.2 -52.7 96.9 126.8 57.3 93 89 A K H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.915 115.4 50.8 -58.3 -44.1 95.1 125.9 60.5 94 90 A F H X S+ 0 0 8 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.894 109.7 48.9 -61.6 -43.0 92.6 128.6 59.9 95 91 A M H < S+ 0 0 19 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.922 110.1 51.8 -64.8 -41.3 91.9 127.4 56.3 96 92 A D H >< S+ 0 0 91 -4,-2.6 3,-0.8 1,-0.2 4,-0.2 0.873 111.0 48.0 -62.3 -34.9 91.4 123.9 57.6 97 93 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.677 114.2 46.5 -78.0 -17.9 88.9 125.2 60.2 98 94 A S T >X S+ 0 0 18 -4,-1.1 4,-4.2 -3,-0.5 3,-0.6 0.184 80.2 114.3-105.4 13.5 87.1 127.2 57.5 99 95 A A T <4 S+ 0 0 53 -3,-0.8 -1,-0.1 1,-0.2 -2,-0.1 0.893 70.9 53.2 -49.9 -50.5 87.1 124.2 55.1 100 96 A L T 34 S+ 0 0 169 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.803 130.6 11.7 -59.1 -34.0 83.3 123.8 55.1 101 97 A T T <4 S- 0 0 112 -3,-0.6 -2,-0.2 3,-0.0 -1,-0.2 0.621 101.7-126.0-119.9 -21.9 82.5 127.3 54.2 102 98 A G < - 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0 0 39 -3,-2.0 -5,-0.0 -61,-0.4 3,-0.0 -0.521 41.1-166.0 -71.9 139.2 114.7 123.6 30.7 241 237 A K > - 0 0 104 -2,-0.2 3,-2.3 1,-0.1 -5,-0.1 -0.991 23.5-145.6-128.8 124.3 114.2 120.5 28.4 242 238 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.731 97.8 73.6 -59.7 -18.1 112.7 120.8 24.9 243 239 A S T 3 + 0 0 106 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.538 68.9 122.1 -72.4 -7.2 111.2 117.3 25.7 244 240 A F S < S- 0 0 21 -3,-2.3 -19,-0.0 1,-0.1 -4,-0.0 -0.303 74.1-105.8 -56.3 136.8 108.7 118.9 28.1 245 241 A P - 0 0 55 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.283 30.2-124.6 -62.3 153.4 105.1 118.2 27.1 246 242 A K + 0 0 151 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.903 33.9 179.7-106.6 110.3 103.3 121.2 25.5 247 243 A W - 0 0 79 -2,-0.7 -22,-2.2 -27,-0.1 2,-0.3 -0.823 24.8-124.3-108.2 150.0 100.1 122.0 27.4 248 244 A A - 0 0 60 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.665 36.8 -96.6 -92.3 149.2 97.7 124.8 26.6 249 245 A R - 0 0 120 -26,-0.3 -26,-0.2 -2,-0.3 2,-0.2 -0.381 37.4-132.5 -65.5 140.3 96.8 127.4 29.3 250 246 A Q - 0 0 68 -28,-3.4 2,-0.2 -2,-0.1 -1,-0.1 -0.616 22.9-104.5 -91.8 154.6 93.6 126.8 31.2 251 247 A D >> - 0 0 108 -2,-0.2 4,-1.8 1,-0.1 3,-1.7 -0.571 18.6-134.3 -78.5 140.1 90.9 129.4 31.9 252 248 A F H 3> S+ 0 0 11 1,-0.3 4,-2.8 2,-0.3 7,-0.2 0.718 103.3 73.3 -65.1 -19.7 90.8 130.9 35.4 253 249 A S H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.793 110.3 33.9 -63.1 -21.5 87.0 130.5 35.3 254 250 A K H <4 S+ 0 0 139 -3,-1.7 -2,-0.3 2,-0.1 -1,-0.2 0.822 120.6 47.4 -96.8 -41.9 88.0 126.9 35.8 255 251 A V H < S+ 0 0 29 -4,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.864 133.8 12.3 -70.7 -39.2 91.2 127.3 37.9 256 252 A V S >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.1 -1,-0.3 -0.588 75.8 179.3-139.1 71.1 89.7 129.7 40.4 257 253 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.814 73.3 57.2 -43.2 -49.1 85.9 129.6 39.8 258 254 A P T 3 S+ 0 0 94 0, 0.0 5,-0.1 0, 0.0 -5,-0.1 0.765 86.9 97.5 -61.1 -24.6 84.8 132.1 42.5 259 255 A L < - 0 0 12 -3,-1.5 2,-0.1 -7,-0.2 -3,-0.1 -0.325 59.0-151.4 -71.8 145.0 87.0 135.0 41.3 260 256 A D > - 0 0 91 -2,-0.1 4,-3.1 1,-0.0 5,-0.3 -0.364 45.5 -76.5 -98.3-172.3 85.7 137.8 39.1 261 257 A E H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.795 130.9 52.2 -58.5 -32.2 87.8 139.9 36.6 262 258 A D H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.929 114.1 42.8 -69.2 -44.2 89.5 142.0 39.3 263 259 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.917 116.1 48.3 -65.7 -43.3 90.6 138.9 41.2 264 260 A R H X S+ 0 0 73 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.876 109.2 53.9 -65.7 -36.7 91.6 137.1 38.0 265 261 A S H X S+ 0 0 28 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.943 113.2 42.1 -62.4 -48.7 93.5 140.2 36.8 266 262 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.928 114.2 50.8 -66.0 -43.8 95.5 140.3 40.0 267 263 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.925 109.1 51.3 -61.3 -42.9 96.0 136.6 40.1 268 264 A S H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.3 51.2 -62.7 -32.8 97.3 136.4 36.6 269 265 A Q H >< S+ 0 0 70 -4,-1.5 10,-2.2 -5,-0.2 3,-0.6 0.840 110.9 48.1 -74.5 -28.3 99.8 139.2 37.3 270 266 A M H 3< S+ 0 0 0 -4,-1.8 -76,-0.3 1,-0.2 -2,-0.2 0.775 115.4 44.6 -81.0 -25.8 101.1 137.4 40.4 271 267 A L T 3< S+ 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.084 77.4 139.8-104.8 22.6 101.5 134.1 38.5 272 268 A H < - 0 0 68 -3,-0.6 6,-0.1 1,-0.1 5,-0.1 -0.434 52.9-136.3 -65.3 138.5 103.1 135.5 35.3 273 269 A Y S S+ 0 0 10 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.928 85.8 76.1 -61.9 -47.2 105.8 133.2 34.2 274 270 A D S >> S- 0 0 16 -44,-0.4 3,-2.4 1,-0.2 4,-1.7 -0.581 70.8-152.7 -74.1 114.2 108.4 135.9 33.5 275 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.826 96.9 58.1 -51.9 -36.0 109.9 137.2 36.8 276 272 A N T 34 S+ 0 0 137 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.559 113.1 37.9 -73.8 -10.3 110.5 140.5 35.0 277 273 A K T <4 S+ 0 0 142 -3,-2.4 -1,-0.2 2,-0.1 3,-0.1 0.535 88.5 110.9-113.2 -16.0 106.8 140.9 34.2 278 274 A R S < S- 0 0 14 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.351 81.4-100.1 -61.8 138.0 105.4 139.5 37.4 279 275 A I - 0 0 18 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.258 35.2-125.5 -61.4 145.2 103.7 142.2 39.5 280 276 A S > - 0 0 63 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.474 21.7-112.9 -83.9 165.1 105.7 143.6 42.4 281 277 A A H > S+ 0 0 4 2,-0.2 4,-1.6 1,-0.2 -161,-0.1 0.941 117.9 52.1 -63.8 -43.6 104.3 143.7 45.9 282 278 A K H > S+ 0 0 159 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.937 111.5 45.3 -58.8 -46.3 104.2 147.5 45.9 283 279 A A H >4 S+ 0 0 50 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.834 106.8 59.6 -68.1 -31.7 102.3 147.6 42.5 284 280 A A H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.864 94.5 64.5 -64.2 -35.3 99.8 144.9 43.7 285 281 A L H 3< S+ 0 0 42 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 101.4 50.9 -57.6 -29.0 98.8 147.1 46.6 286 282 A A T << S+ 0 0 85 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.405 83.3 124.4 -89.3 2.9 97.4 149.6 44.0 287 283 A H S X S- 0 0 15 -3,-2.0 3,-2.2 -4,-0.2 4,-0.1 -0.335 73.3-120.3 -66.2 142.6 95.4 146.9 42.2 288 284 A P G > S+ 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.744 107.0 77.2 -53.8 -23.3 91.6 147.5 41.8 289 285 A F G 3 S+ 0 0 5 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.804 94.4 50.3 -57.8 -27.7 91.0 144.3 43.7 290 286 A F G X S+ 0 0 10 -3,-2.2 3,-1.8 -6,-0.2 -1,-0.3 0.289 74.2 108.9 -96.5 10.2 91.9 146.2 46.9 291 287 A Q T < S+ 0 0 159 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.865 90.6 32.2 -52.3 -42.3 89.5 149.2 46.3 292 288 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.1 -0.065 85.5 149.4-107.4 29.6 87.2 148.0 49.1 293 289 A V < + 0 0 42 -3,-1.8 2,-0.2 -184,-0.1 -186,-0.1 -0.420 15.5 167.2 -69.5 141.1 89.7 146.3 51.4 294 290 A T - 0 0 83 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.657 41.3-103.1-134.0-171.4 88.9 146.4 55.2 295 291 A K - 0 0 123 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.684 39.5-176.8-124.7 79.5 90.2 144.6 58.3 296 292 A P - 0 0 32 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.305 25.0-123.6 -69.3 156.9 87.7 141.9 59.3 297 293 A V - 0 0 102 1,-0.0 -155,-0.1 -154,-0.0 -156,-0.1 -0.871 27.9-118.8-103.2 137.8 88.4 139.9 62.5 298 294 A P - 0 0 15 0, 0.0 2,-1.0 0, 0.0 -155,-0.0 -0.378 15.5-120.5 -75.6 154.1 88.6 136.2 62.2 299 295 A H + 0 0 151 -2,-0.1 2,-0.6 2,-0.0 -158,-0.0 -0.836 38.3 178.7 -93.1 104.6 86.3 133.7 63.9 300 296 A L + 0 0 51 -2,-1.0 2,-0.7 -159,-0.1 -206,-0.0 -0.911 12.9 176.5-113.7 107.0 88.7 131.7 66.0 301 297 A R 0 0 227 -2,-0.6 -2,-0.0 0, 0.0 -1,-0.0 -0.658 360.0 360.0-109.0 75.5 87.1 129.0 68.2 302 298 A L 0 0 181 -2,-0.7 -2,-0.0 0, 0.0 0, 0.0 -0.175 360.0 360.0 -76.7 360.0 90.2 127.2 69.7